[Mo(bis(η(5)-cyclopentadienyl))(SC6H4SC6H5)][BF4] | 380614-42-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [Mo(bis(η(5)-cyclopentadienyl))(SC6H4SC6H5)][BF4]
• 英文别名: cyclopenta-1,3-diene;molybdenum(4+);2-phenylsulfanylbenzenethiolate;tetrafluoroborate
• CAS: 380614-42-6
• 化学式: BF₄*C₂₂H₁₉MoS₂
• 分子量: 530.269
• InChiKey: SSQAMVXTPDISJX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.85
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  silver tetrafluoroborate 、 bis(cyclopentadienyl)(phenylthiolato)2molybdenum 以 二氯甲烷 为溶剂， 生成 [Mo(bis(η(5)-cyclopentadienyl))(SC6H4SC6H5)][BF4]
  参考文献：
  名称：

  New studies on the chemical oxidation of (bisη5-cyclopentadienyl)dithiolatemolybdenum(IV) complexes. Crystal structures of [C6H5)][BF4] and [Mo(η5-C5H5)2(SC6H5)2]

  摘要：

  A new pattern on the reactivity of bis(eta (5)-cyclopentadienyl)dithiolatemolybdenum(IV) metalloligands was found upon study of several chemical reactions involving the redox behaviour of these compounds. Chemical oxidants, such as Ag+ and NO, led to very different monochelate and binuclear final products. The molecular structure of the new compound which contains the metalloring cation [Mo(eta (5)-C5H5)(2)S(C6H4-o-SC6H5)](+) was characterised by single-crystal X-ray diffraction. and for comparison, also the molecular structure of the parent compound [Mo(-eta (5)-C5H5)(2)(SPh)(2)] is also presented and discussed. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01038-5